chempirical

2,2′-Dithiobis[5-nitropyridine]

C10H6N4O4S2CAS 2127-10-8310.30 g/mol

Open in Covalent MOL file
ON+O−SSN+OO−NN
DisulfideNitro

Properties

Molecular formula
C10H6N4O4S2
Molar mass
310.30 g/mol
Exact mass
309.9830 Da
Melting point
150–151 °C
logP
3.09Crippen estimate
Polar surface area
112.1 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
5

Identifiers

CAS number
2127-10-8
SMILES
O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cn2)nc1
InChIKey
ROUFCTKIILEETD-UHFFFAOYSA-N
InChI
InChI=1S/C10H6N4O4S2/c15-13(16)7-1-3-9(11-5-7)19-20-10-4-2-8(6-12-10)14(17)18/h1-6H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • Pyridine, 2,2′-dithiobis[5-nitro-
  • 2,2′-Dithiobis(5-nitropyridine)
  • DTNP
  • Bis(5-nitro-2-pyridyl) disulfide
  • 5,5′-Dinitro-2,2′-dipyridyl disulfide
  • 5-Nitro-2-pyridyl disulfide
  • 6,6′-Dithiobis(3-nitropyridine)
  • 2,2′-Bis(5-nitropyridyl) disulfide
  • 5,5′-Dinitro-2,2′-dithiobis[pyridine]
  • NSC 677436
  • NSC 149336
  • 5,5′-Dinitro-2,2′-dithiodipyridine
  • Bis(5-nitropyridin-2-yl) disulfide
  • 2,2′-Dithiodi(5-nitropyridine)
  • 1,2-Bis(5-nitropyridin-2-yl)disulfane

Work with 2,2′-Dithiobis[5-nitropyridine]

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-5-nitropyridine4548-45-259 % similar 2-Bromo-5-nitropyridine4487-59-658 % similar 2-Fluoro-5-nitropyridine456-24-658 % similar 5-Nitro-2(1H)-pyridinone5418-51-958 % similar 2-Cyano-5-nitropyridine100367-55-353 % similar 6-Methoxy-3-nitropyridine5446-92-453 % similar 1,4-Dinitrobenzene100-25-452 % similar Bis(4-nitrophenyl) disulfide100-32-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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